1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine

C20H23ClN4O2S2 — CID 50842835

IUPAC1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n[nH]1
InChIInChI=1S/C20H23ClN4O2S2/c1-13-11-18(23-22-13)19-14(2)28-15(3)20(19)29(26,27)25-9-7-24(8-10-25)17-6-4-5-16(21)12-17/h4-6,11-12H,7-10H2,1-3H3,(H,22,23)
InChIKeyYDJIMHVOHYGERI-UHFFFAOYSA-N
MW451.02 g/mol
LogP4.23
Rot. Bonds4

About 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine

1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine (PubChem CID 50842835) has the molecular formula C20H23ClN4O2S2 and a molecular weight of 451.02 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
PubChem CID50842835
Molecular FormulaC20H23ClN4O2S2
Molecular Weight451.02 g/mol
Exact Mass450.10
IUPAC Name1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n[nH]1
InChIInChI=1S/C20H23ClN4O2S2/c1-13-11-18(23-22-13)19-14(2)28-15(3)20(19)29(26,27)25-9-7-24(8-10-25)17-6-4-5-16(21)12-17/h4-6,11-12H,7-10H2,1-3H3,(H,22,23)
InChIKeyYDJIMHVOHYGERI-UHFFFAOYSA-N
XLogP4.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.02
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine
CID 50842774
1-(3-chlorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
CID 20947441
1-(3-chlorophenyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine
CID 997461
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
5-[2,5-dimethyl-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]sulfonylthiophen-3-yl]-1,2-oxazole
CID 53057119
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
1-(3-chlorophenyl)-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 17372732
1-(3-chlorophenyl)-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 113076664
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophene-3-sulfonamide
CID 50842741
2-[5-[4-(3-chlorophenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-4,5-dimethyl-1,3-thiazole
CID 50839209
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]sulfonyl-4-ethylphenyl]-1H-pyridazin-6-one
CID 20930607

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine (CID 50842835) is 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine is Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)n[nH]1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine?
The InChIKey is YDJIMHVOHYGERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2S2/c1-13-11-18(23-22-13)19-14(2)28-15(3)20(19)29(26,27)25-9-7-24(8-10-25)17-6-4-5-16(21)12-17/h4-6,11-12H,7-10H2,1-3H3,(H,22,23).
What are the key properties of 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine?
1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine has a molecular weight of 451.02 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonylpiperazine is sourced from PubChem (CID 50842835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).